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Folder attributes#

Folder attributes are defined in the folder attribute space (short name: sm), that matches only folder nodes.

Attributes inherited from the node attribute space:

Attribute name Short name Possible values Examples
hasMaterial hm true, false fo.hm
not fo.hm
hidden h true, false fo.h
not fo.h
name n strings in quotes fo.n "A"
fo.n "L*"
ownsMaterial om true, false fo.om
selected true, false fo.selected
not fo.selected
selectionFlag sf true, false fo.sf false
fo.sf
visibilityFlag vf true, false fo.vf false
fo.vf
visible v true, false fo.v
not fo.v

Attributes specific to the folder attribute space:

Attribute name Short name Possible values Examples
formalCharge fc integers fo.fc > 1
fo.fc 6:8
numberOfAtoms nat integers fo.nat < 1000
fo.nat 100:200
numberOfCarbons nC integers fo.nC < 10
fo.nC 10:20
numberOfChains nc integers fo.nc < 3
fo.nc 2:4
numberOfCoarseGrainedAtoms ncga integers fo.ncga < 1000
fo.ncga 100:200
numberOfHydrogens nH integers fo.nH < 10
fo.nH 10:20
numberOfMolecules nm integers fo.nm < 3
fo.nm 2:4
numberOfNitrogens nN integers fo.nN < 10
fo.nN 10:20
numberOfOxygens nO integers fo.nO < 10
fo.nO 10:20
numberOfResidues nr integers fo.nr > 130
fo.nr 100:130
numberOfSegments ns integers fo.ns < 3
fo.ns 1:3
numberOfStructuralGroups nsg integers fo.nsg > 10
fo.nsg 10:13
numberOfStructuralModels nsm integers fo.nsm > 4
fo.nsm 2:4
numberOfSulfurs nS integers fo.nS < 10
fo.nS 10:20
partialCharge pc real fo.pc > 1.5
fo.pc 1.5:2.0

formalCharge#

The folder.formalCharge attribute (short name: fo.fc) matches folders with structures having specific total formal charge.

Possible values: integers.

Examples:

  • folder.fc 1 (short version: fo.fc 1): matches folders with structures having formal charge equal to 1
  • folder.fc 6:8 (short version: fo.fc 6:8): matches folders with structures having formal charge between 6 and 8

hasMaterial#

Inherited from node.hasMaterial.

hidden#

Inherited from node.hidden.

name#

Inherited from node.name.

numberOfAtoms#

The folder.numberOfAtoms attribute (short name: fo.nat) matches folders with specific number of atoms.

Possible values: integers.

Examples:

  • folder.nat > 100 (short version: fo.nat > 100): matches folders with the number of atoms more than 100
  • folder.nat 100:200 (short version: fo.nat 100:200): matches folders with the number of atoms between 100 and 200

numberOfCarbons#

The folder.numberOfCarbons attribute (short name: fo.nC) matches folders with specific number of Carbon atoms. It works in the similar way as the numberOfAtoms attribute.

numberOfChains#

The folder.numberOfChains attribute (short name: fo.nc) matches folders with specific number of chains.

Possible values: integers.

Examples:

  • folder.numberOfChains < 3 (short version: fo.nc < 3): matches folders with the number of chains less than 3
  • folder.numberOfChains 2:4 (short version: fo.nc 2:4): matches folders with the number of chains between 2 and 4

numberOfCoarseGrainedAtoms#

The folder.numberOfCoarseGrainedAtoms attribute (short name: fo.ncga) matches folders with specific number of coarse-grained atoms. It works in the similar way as the numberOfAtoms attribute.

numberOfHydrogens#

The folder.numberOfHydrogens attribute (short name: fo.nH) matches folders with specific number of Hydrogen atoms. It works in the similar way as the numberOfAtoms attribute.

numberOfMolecules#

The folder.numberOfMolecules attribute (short name: fo.nm) matches folders with specific number of molecules.

Possible values: integers.

Examples:

  • folder.numberOfMolecules < 3 (short version: fo.nm < 3): matches folders with the number of molecules less than 3
  • folder.numberOfMolecules 2:4 (short version: fo.nm 2:4): matches folders with the number of molecules between 2 and 4

numberOfNitrogens#

The folder.numberOfNitrogens attribute (short name: fo.nN) matches folders with specific number of Nitrogen atoms. It works in the similar way as the numberOfAtoms attribute.

numberOfOxygens#

The folder.numberOfOxygens attribute (short name: fo.nO) matches folders with specific number of Oxygen atoms. It works in the similar way as the numberOfAtoms attribute.

numberOfResidues#

The folder.numberOfResidues attribute (short name: fo.nr) matches folders with specific number of residues.

Possible values: integers.

Examples:

  • folder.numberOfResidues > 100 (short version: fo.nr > 100): matches folders with the number of residues greater than 100
  • folder.numberOfResidues 100:120 (short version: fo.nr 100:120): matches folders with the number of residues between 100 and 120

numberOfSegments#

The folder.numberOfSegments attribute (short name: fo.ns) matches folders with specific number of segments.

Possible values: integers.

Examples:

  • folder.numberOfSegments > 2 (short version: fo.ns > 2): matches folders with the number of segments greater than 2
  • folder.numberOfSegments 2:4 (short version: fo.ns 2:4): matches folders with the number of segments between 2 and 4

numberOfStructuralGroups#

The folder.numberOfStructuralGroups attribute (short name: fo.nsg) matches folders with specific number of structural groups.

Possible values: integers.

Examples:

  • folder.numberOfStructuralGroups > 10 (short version: fo.nsg > 10): matches folders with the number of structural groups greater than 10
  • folder.numberOfStructuralGroups 10:12 (short version: fo.nsg 10:12): matches folders with the number of structural groups between 10 and 12

numberOfStructuralModels#

The folder.numberOfStructuralModels attribute (short name: fo.nsm) matches folders with specific number of structural models.

Possible values: integers.

Examples:

  • folder.numberOfStructuralModels > 4 (short version: fo.nsm > 4): matches folders with the number of structural models greater than 4
  • folder.numberOfStructuralModels 2:4 (short version: fo.nsm 2:4): matches folders with the number of structural models between 2 and 4

numberOfSulfurs#

The folder.numberOfSulfurs attribute (short name: fo.nS) matches folders with specific number of Sulfur atoms. It works in the similar way as the numberOfAtoms attribute.

ownsMaterial#

Inherited from node.ownsMaterial.

partialCharge#

The folder.partialCharge attribute (short name: fo.pc) matches folders with structures having specific total partial charge.

Possible values: real.

Examples:

  • folder.pc 1 (short version: fo.pc 1): matches folders with structures having partial charge equal to 1
  • folder.pc 1.5:2.0 (short version: fo.pc 1.5:2.0): matches folders with structures having partial charge between 1.5 and 2.0

selected#

Inherited from node.selected, but without the short name s.

selectionFlag#

Inherited from node.selectionFlag.

visibilityFlag#

Inherited from node.visibilityFlag.

visible#

Inherited from node.visible.